3-(3-bromophenyl)-5-[2-(4-fluoranylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(3-bromophenyl)-5-[2-(4-fluoranylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(3-bromophenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(3-bromophenyl)-5-[2-(4-fluorophenoxy)ethylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(3-bromophenyl)-5-[2-(4-fluorophenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(3-bromophenyl)-5-[2-(4-fluorophenoxy)ethylthio]-1,2,4-triazol-4-yl]amine Formula: C16H14BrFN4OS MolecularWeight: 409.275963

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN=C(N2N)SCCOC3=CC=C(C=C3)F

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN=C(N2N)SCCOC3=CC=C(C=C3)F

InChI

InChI=1S/C16H14BrFN4OS/c17-12-3-1-2-11(10-12)15-20-21-16(22(15)19)24-9-8-23-14-6-4-13(18)5-7-14/h1-7,10H,8-9,19H2